[Wien] array FJ lower bound error with ifort 12

[Gavin Abo]

Hi Wien2k Users,

Does anyone have a fix for the runtime error below? Is one of the older 
ifort 12 versions more stable?

Operating System: Red Hat Enterprise Linux 6.0
Compilers: composer_xe_2011_sp1.6.233 (ifort 12.1.0 + mkl, 30 day 
evaluation), cc 4.4.4 20100726
Processor: Dual Quad Core Intel Xeon E5606
Memory: 6x2 GB 1333 MHz DDR3 ECC SDRAM
WIEN2k_11.1 (Release 14/6/2011)

Compiles without errors with the following settings.

Compiler options: -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O1 
-xHost -traceback -g -check bounds
Linker Flags: 
-L/opt/intel/composer_xe_2011_sp1.6.233/compiler/lib/intel64 -openmp 
-lpthread
Preprocessor flag: '-DParallel'
R_LIB (LAPACK+BLAS): 
-L/opt/intel/composer_xe_2011_sp1.6.233/mkl/lib/intel64 
-lmkl_lapack95_lp64 -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core 
-openmp -lpthread

Shared Memory Architecture: y
MPI and Scalapack: n

Runtime error with TiC example with 1000 k-points:

cd /home/wien/wiendata/TiC; run_lapw -cc 0.0001 -NI

LAPW0 END
LAPW1 END

forrtl: severe (408): fort: (3): Subscript #1 of the array FJ has value 
-2147483648 which is less than the lower bound of 1

Image              PC                                
Routine               Line               Source
lapw2              00000000005B7A6A   Unknown            Unknown      
Unknown
lapw2              00000000005B6566     Unknown             Unknown     
Unknown
lapw2              0000000000566B80    Unknown             Unknown      
Unknown
lapw2              00000000005233EF    Unknown             Unknown      
Unknown
lapw2              0000000000523911     Unknown             Unknown      
Unknown
lapw2              0000000000507CEC   sphbes_                            
69      sphbes.f
lapw2              000000000048E3AD   harmon_                          
13      harmon.f
lapw2              00000000004A14FA   l2main_                          
671      l2main_tmp_.F
lapw2              00000000004D4845    MAIN__                        
564      lapw2_tmp_.F
lapw2              0000000000403C5C    Unknown              Unknown     
Unknown
libc.so.6          0000003E5321EC5D   Unknown              Unknown     
Unknown
lapw2              0000000000403B59    Unknown              Unknown      
Unknown

 >   stop error

Note: For 100 k-points, runs without error and converges with 12 cycles.

Thanks,

Gavin